HRID1218063

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID2758519

3-(Dimethylamino)pyrrolidine

C6H14N2

HCID68585985

未命名化合物

PRODUCTS

生成物

结构：Cc1c(-c2ccccc2)c(N2CCC(N(C)C)C2)c2oc(N)nc2c1C#N

HCID68585166

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2f3e45b9cedb4f689e09c756ef390e23
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:21][N:22]([CH:23]1[CH2:24][NH:25][CH2:26][CH2:27]1)[CH3:28].[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[CH3:36][CH2:37][O:38][C:39](=[O:40])[CH3:41].[CH3:42][S:43](=[O:44])[CH3:45].[NH2:1][c:2]1[o:3][c:4]2[c:5]([n:6]1)[c:7]([C:19]#[N:20])[c:8]([CH3:18])[c:9](-[c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[c:10]2[F:11]>>[NH2:1][c:2]1[o:3][c:4]2[c:5]([n:6]1)[c:7]([C:19]#[N:20])[c:8]([CH3:18])[c:9](-[c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[c:10]2[N:25]1[CH2:24][CH:23]([N:22]([CH3:21])[CH3:28])[CH2:27][CH2:26]1